SCHEMBL12478752

SCHEMBL12478752

Ic1ccc(OCc2ccccc2)cc1OBOc1cc(OCc2ccccc2)ccc1I

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.51
MAOB P27338 8/20 0.49
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
PTGS1 P23219 1/20 0.46
SLC6A2 P23975 1/20 0.46
CYP2C19 P33261 1/20 0.46
PTGS2 P35354 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HIF1A Q16665 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
MAOA P21397 3/20 0.45
APP P05067 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5433423 0.84 ALOX5 (0.54) ALOX5MAOBCYP4F2CYP4A11LMNA
SCHEMBL27696607 0.83 MAOB (0.58) ALOX5MAOBLMNACYP1A2PTGS1
SCHEMBL16048596 0.81 ALOX5 (0.51) ALOX5MAOBLMNACYP1A2PTGS1
SCHEMBL15968723 0.77 LMNA (0.61) ALOX5MAOBCYP4F2CYP4A11LMNA
SCHEMBL28874699 0.76 MAOB (0.58) MAOBAPPGAAMAPTSMN1; SMN2
SCHEMBL306550 0.76 LMNA (0.64) ALOX5MAOBLMNACYP1A2PTGS1
SCHEMBL31601164 0.76 MAOB (0.58) ALOX5MAOBLMNACYP1A2PTGS1
SCHEMBL16822445 0.76 ALOX5 (0.56) ALOX5MAOBLMNACYP1A2PTGS1
SCHEMBL28943690 0.76 ALOX5 (0.56) ALOX5MAOBCYP4F2CYP4A11LMNA
SCHEMBL31725938 0.76 ALOX5 (0.56) ALOX5MAOBLMNACYP1A2PTGS1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9284270-B2 Boronic acid catalysts and methods of use thereof for activation and transformation of carboxylic acids THE GOVERNERS OF THE UNIVERSITY OF ALBERTA (CA) 2016-03-15 US disclosed
US-20140142322-A1 Boronic Acid Catalysts and Methods of Use Thereof for Activation and Transformation of Carboxylic Acids GREENCENTRE CANADA (CA) 2014-05-22 US disclosed
EP-2675816-A1 BORONIC ACID CATALYSTS AND METHODS OF USE THEREOF FOR ACTIVATION AND TRANSFORMATION OF CARBOXYLIC ACIDS The Governors of the University of Alberta (CA) 2013-12-25 EP disclosed
WO-2012109749-A1 BORONIC ACID CATALYSTS AND METHODS OF USE THEREOF FOR ACTIVATION AND TRANSFORMATION OF CARBOXYLIC ACIDS THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2012-08-23 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140142322-A1 Boronic Acid Catalysts and Methods of Use Thereof for Activation and Transformation of Carboxylic Acids BCAT1, ME1, BCAT2 ALOX5 465/4885MAOB 36/4885CYP4F2 76/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.